Molecule

ID:55445

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅Br₂N
Molecular Mass
273.0087
Exact Mass
270.95712349
Charge
0
InChI
InChI=1S/C7H14BrN.BrH/c1-9-4-2-7(6-8)3-5-9;/h7H,2-6H2,1H3;1H
InChIKey
LPWSSZKXKQCTCS-UHFFFAOYSA-N
Canonic Smiles
BrCC1CCN(CC1)C.Br
Isomeric Smiles
C1CN(CCC1CBr)C.Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.0092424
LogD (pH = 7.4)
0.7599281
Log P
1.508917
Molar Refractivity
44.5649
Polarizability
17.098078
Polar Surface Area
3.24
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation